SCHEMBL4308490

SCHEMBL4308490

C#Cc1cccc(NC(=O)COC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 4/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
HDAC3 O15379 2/20 0.52
EGFR P00533 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
NPC1 O15118 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5922620 0.88 HDAC3 (0.50) SMN1; SMN2HPGDMAPTHDAC3EGFR
SCHEMBL18419351 0.87 HDAC3 (0.49) SMN1; SMN2HPGDMAPTHDAC3EGFR
SCHEMBL9495103 0.84 SMN1; SMN2 (0.71) SMN1; SMN2HPGDCYP2C19MAPTALOX12
SCHEMBL10191907 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HPGDCYP2C19MAPTALOX12
SCHEMBL18203555 0.83 RAB9A (0.61) SMN1; SMN2CYP2C19MAPTMAPK1HDAC3
SCHEMBL29331156 0.83 MEN1 (0.59) HPGDHTTHDAC3EGFRHDAC4
SCHEMBL29331163 0.81 EGFR (0.48) HPGDHDAC3EGFRHDAC4HDAC1
SCHEMBL29292331 0.81 HDAC3 (0.48) SMN1; SMN2HPGDHDAC3EGFRHDAC4
SCHEMBL27727722 0.80 HDAC3 (0.45) SMN1; SMN2HPGDMAPTMAPK1HDAC3
SCHEMBL13950264 0.80 HDAC3 (0.54) SMN1; SMN2MAPTMAPK1HDAC3EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 US disclosed
EP-1966185-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-09-10 EP disclosed
EP-1896448-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-03-12 EP disclosed
US-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation WYETH (US) 2007-08-16 US disclosed
US-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation WYETH (US) 2007-08-16 US disclosed
US-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation WYETH (US) 2007-08-16 US disclosed
WO-2007078813-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-07-12 WO disclosed
WO-2007078813-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-07-12 WO disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation BACE1, BACE2, PSEN1 SMN1; SMN2 1533/4885HPGD 2986/4885CYP2C19 4304/4885
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP SMN1; SMN2 1690/4885HPGD 3676/4885CYP2C19 4760/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP SMN1; SMN2 1690/4885HPGD 3676/4885CYP2C19 4760/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.